SCHEMBL4953409

SCHEMBL4953409

CCCCSCCC(NC(=O)CC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.49
NOD1 Q9Y239 11/20 0.49
SLC6A5 Q9Y345 1/20 0.40
MAPK1 P28482 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PGGT1B P53609 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4956250 0.90 HDAC2 (0.45) HDAC2NOD1SLC6A5MAPK1FNTA
SCHEMBL4953360 0.89 HDAC2 (0.48) HDAC2NOD1SLC6A5MAPK1FNTA
SCHEMBL4955334 0.89 NOD1 (0.55) HDAC2NOD1SLC6A5FNTAFNTB
SCHEMBL4953163 0.85 KDM4E (0.46) HDAC2NOD1
SCHEMBL4951783 0.85 NOD1 (0.46) HDAC2NOD1SLC6A5
SCHEMBL4952063 0.85 HDAC2 (0.43) HDAC2NOD1MAPK1FNTAFNTB
SCHEMBL11092611 0.83 NOD1 (0.68) HDAC2NOD1SLC6A5MAPK1FNTA
SCHEMBL9831561 0.83 NOD1 (0.62) HDAC2NOD1SLC6A5MAPK1
SCHEMBL6668178 0.83 NOD1 (0.62) HDAC2NOD1SLC6A5MAPK1
SCHEMBL4952014 0.81 HDAC2 (0.41) HDAC2NOD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 HDAC2 708/4885NOD1 3692/4885SLC6A5 3362/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 HDAC2 1949/4885NOD1 3233/4885SLC6A5 987/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 HDAC2 2217/4885NOD1 10/4885SLC6A5 4695/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.